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Title: Materials Data on Tc3Pd by Materials Project

Abstract

Tc3Pd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Tc+0.67- sites. In the first Tc+0.67- site, Tc+0.67- is bonded to twelve Tc+0.67- atoms to form a mixture of corner, edge, and face-sharing TcTc12 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.75 Å) Tc–Tc bond lengths. In the second Tc+0.67- site, Tc+0.67- is bonded to nine Tc+0.67- and three equivalent Pd2+ atoms to form TcTc9Pd3 cuboctahedra that share corners with eighteen equivalent TcTc9Pd3 cuboctahedra, edges with twelve TcTc12 cuboctahedra, and faces with fourteen TcTc12 cuboctahedra. All Tc–Tc bond lengths are 2.75 Å. All Tc–Pd bond lengths are 2.79 Å. Pd2+ is bonded in a 12-coordinate geometry to six equivalent Tc+0.67- atoms.

Publication Date:
Other Number(s):
mp-1217414
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tc3Pd; Pd-Tc
OSTI Identifier:
1680284
DOI:
https://doi.org/10.17188/1680284

Citation Formats

The Materials Project. Materials Data on Tc3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680284.
The Materials Project. Materials Data on Tc3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1680284
The Materials Project. 2020. "Materials Data on Tc3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1680284. https://www.osti.gov/servlets/purl/1680284. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1680284,
title = {Materials Data on Tc3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Tc3Pd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Tc+0.67- sites. In the first Tc+0.67- site, Tc+0.67- is bonded to twelve Tc+0.67- atoms to form a mixture of corner, edge, and face-sharing TcTc12 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.75 Å) Tc–Tc bond lengths. In the second Tc+0.67- site, Tc+0.67- is bonded to nine Tc+0.67- and three equivalent Pd2+ atoms to form TcTc9Pd3 cuboctahedra that share corners with eighteen equivalent TcTc9Pd3 cuboctahedra, edges with twelve TcTc12 cuboctahedra, and faces with fourteen TcTc12 cuboctahedra. All Tc–Tc bond lengths are 2.75 Å. All Tc–Pd bond lengths are 2.79 Å. Pd2+ is bonded in a 12-coordinate geometry to six equivalent Tc+0.67- atoms.},
doi = {10.17188/1680284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}